2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-pyridine

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-pyridine CAS Name: 2-[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]-3-nitropyridine IUPAC Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitropyridine Traditional Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]-3-nitro-pyridine Formula: C14H12N6O2S MolecularWeight: 328.34908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SC3=C(C=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N6O2S/c1-9-5-3-6-11(10(9)2)19-14(16-17-18-19)23-13-12(20(21)22)7-4-8-15-13/h3-8H,1-2H3